3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid

C8H12N2O2 — CID 23009819

IUPAC3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid
SMILESCC1=NN=C(C)C1CCC(=O)O
InChIInChI=1S/C8H12N2O2/c1-5-7(3-4-8(11)12)6(2)10-9-5/h7H,3-4H2,1-2H3,(H,11,12)
InChIKeyMKUFCVJFAXVGRJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.32
Rot. Bonds3

About 3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid

3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid (PubChem CID 23009819) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid
PubChem CID23009819
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid
SMILESCC1=NN=C(C)C1CCC(=O)O
InChIInChI=1S/C8H12N2O2/c1-5-7(3-4-8(11)12)6(2)10-9-5/h7H,3-4H2,1-2H3,(H,11,12)
InChIKeyMKUFCVJFAXVGRJ-UHFFFAOYSA-N
XLogP1.32
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid (CID 23009819) is 3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid is CC1=NN=C(C)C1CCC(=O)O.
What is the InChIKey of 3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid?
The InChIKey is MKUFCVJFAXVGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-7(3-4-8(11)12)6(2)10-9-5/h7H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid?
3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid has a molecular weight of 168.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-4H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 23009819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).